(1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone

C21H22N2OS — CID 53341084

IUPAC(1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
SMILESCCCn1cc(C(=O)c2cc3ccsc3n2CCC)c2ccccc21
InChIInChI=1S/C21H22N2OS/c1-3-10-22-14-17(16-7-5-6-8-18(16)22)20(24)19-13-15-9-12-25-21(15)23(19)11-4-2/h5-9,12-14H,3-4,10-11H2,1-2H3
InChIKeyDEKQTOKSQOSMAD-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.71
Rot. Bonds6

About (1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone

(1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone (PubChem CID 53341084) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is (1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name(1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
PubChem CID53341084
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name(1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
SMILESCCCn1cc(C(=O)c2cc3ccsc3n2CCC)c2ccccc21
InChIInChI=1S/C21H22N2OS/c1-3-10-22-14-17(16-7-5-6-8-18(16)22)20(24)19-13-15-9-12-25-21(15)23(19)11-4-2/h5-9,12-14H,3-4,10-11H2,1-2H3
InChIKeyDEKQTOKSQOSMAD-UHFFFAOYSA-N
XLogP5.71
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
The IUPAC name of (1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone (CID 53341084) is (1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone.
What is the SMILES notation for (1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
The canonical SMILES for (1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone is CCCn1cc(C(=O)c2cc3ccsc3n2CCC)c2ccccc21.
What is the InChIKey of (1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
The InChIKey is DEKQTOKSQOSMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-3-10-22-14-17(16-7-5-6-8-18(16)22)20(24)19-13-15-9-12-25-21(15)23(19)11-4-2/h5-9,12-14H,3-4,10-11H2,1-2H3.
What are the key properties of (1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
(1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone has a molecular weight of 350.49 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 53341084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).